SCHEMBL4048378

SCHEMBL4048378

O=C(Cn1ccc(OCc2ccccc2)cc1=O)c1cnc2c(c1)CNCC2

nearest known ligand 0.56

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 18/20 0.56
MAPK14 Q16539 1/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1365006 0.86 MCHR1 (0.59) MCHR1MAPK14
SCHEMBL1367750 0.86 MCHR1 (0.59) MCHR1MAPK14
SCHEMBL10205765 0.84 MCHR1 (0.52) MCHR1MAPK14
SCHEMBL1364904 0.82 MCHR1 (0.61) MCHR1MAPK14
SCHEMBL1367682 0.82 MCHR1 (0.63) MCHR1MAPK14
SCHEMBL1365156 0.79 MCHR1 (0.50) MCHR1MAPK14
SCHEMBL4045071 0.78 MCHR1 (0.48) MCHR1MAPK14
SCHEMBL4043169 0.78 MCHR1 (0.50) MCHR1
SCHEMBL1365684 0.76 MCHR1 (0.60) MCHR1
SCHEMBL23762151 0.75 TDP1 (0.47)

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009103478-A1 PYRIDONE AND PYRIDAZINONE DERIVATIVES AS MCH ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-08-27 WO disclosed